N-tert-butyl-1-(2,5-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide

C18H28N2O5S — CID 1091415

IUPACN-tert-butyl-1-(2,5-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide
SMILESCOc1ccc(OC)c(S(=O)(=O)N2CCC(C(=O)NC(C)(C)C)CC2)c1
InChIInChI=1S/C18H28N2O5S/c1-18(2,3)19-17(21)13-8-10-20(11-9-13)26(22,23)16-12-14(24-4)6-7-15(16)25-5/h6-7,12-13H,8-11H2,1-5H3,(H,19,21)
InChIKeyJKNKYPTYVUUJSY-UHFFFAOYSA-N
MW384.50 g/mol
LogP2.02
Rot. Bonds5

About N-tert-butyl-1-(2,5-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide

N-tert-butyl-1-(2,5-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 1091415) has the molecular formula C18H28N2O5S and a molecular weight of 384.50 g/mol. Its IUPAC name is N-tert-butyl-1-(2,5-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-1-(2,5-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide
PubChem CID1091415
Molecular FormulaC18H28N2O5S
Molecular Weight384.50 g/mol
Exact Mass384.17
IUPAC NameN-tert-butyl-1-(2,5-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide
SMILESCOc1ccc(OC)c(S(=O)(=O)N2CCC(C(=O)NC(C)(C)C)CC2)c1
InChIInChI=1S/C18H28N2O5S/c1-18(2,3)19-17(21)13-8-10-20(11-9-13)26(22,23)16-12-14(24-4)6-7-15(16)25-5/h6-7,12-13H,8-11H2,1-5H3,(H,19,21)
InChIKeyJKNKYPTYVUUJSY-UHFFFAOYSA-N
XLogP2.02
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1-(2,5-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-tert-butyl-1-(2,5-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide (CID 1091415) is N-tert-butyl-1-(2,5-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-tert-butyl-1-(2,5-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-tert-butyl-1-(2,5-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide is COc1ccc(OC)c(S(=O)(=O)N2CCC(C(=O)NC(C)(C)C)CC2)c1.
What is the InChIKey of N-tert-butyl-1-(2,5-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is JKNKYPTYVUUJSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O5S/c1-18(2,3)19-17(21)13-8-10-20(11-9-13)26(22,23)16-12-14(24-4)6-7-15(16)25-5/h6-7,12-13H,8-11H2,1-5H3,(H,19,21).
What are the key properties of N-tert-butyl-1-(2,5-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide?
N-tert-butyl-1-(2,5-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 384.50 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1-(2,5-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 1091415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).